# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Cu
_database_code_depnum_ccdc_archive 'CCDC 1437348'
_audit_update_record             
;
2015-12-15 deposited with the CCDC.
2016-07-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C928 H496 Cu96 N32 O456'
_chemical_formula_weight         25489.41

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Cubic
_symmetry_space_group_name_H-M   'Fm-3m '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x, -y, -z'
'-x, y, -z'
'z, x, y'
'y, z, x'
'-z, -x, y'
'-y, z, -x'
'z, -x, -y'
'-y, -z, x'
'-z, x, -y'
'y, -z, -x'
'-y, -x, -z'
'y, x, -z'
'y, -x, z'
'-y, x, z'
'-x, -z, -y'
'-z, -y, -x'
'x, z, -y'
'-z, y, x'
'x, -z, y'
'z, y, -x'
'-x, z, y'
'z, -y, x'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x, -y+1/2, -z+1/2'
'-x, y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'y, z+1/2, x+1/2'
'-z, -x+1/2, y+1/2'
'-y, z+1/2, -x+1/2'
'z, -x+1/2, -y+1/2'
'-y, -z+1/2, x+1/2'
'-z, x+1/2, -y+1/2'
'y, -z+1/2, -x+1/2'
'-y, -x+1/2, -z+1/2'
'y, x+1/2, -z+1/2'
'y, -x+1/2, z+1/2'
'-y, x+1/2, z+1/2'
'-x, -z+1/2, -y+1/2'
'-z, -y+1/2, -x+1/2'
'x, z+1/2, -y+1/2'
'-z, y+1/2, x+1/2'
'x, -z+1/2, y+1/2'
'z, y+1/2, -x+1/2'
'-x, z+1/2, y+1/2'
'z, -y+1/2, x+1/2'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+1/2, -y, -z+1/2'
'-x+1/2, y, -z+1/2'
'z+1/2, x, y+1/2'
'y+1/2, z, x+1/2'
'-z+1/2, -x, y+1/2'
'-y+1/2, z, -x+1/2'
'z+1/2, -x, -y+1/2'
'-y+1/2, -z, x+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, -x, -z+1/2'
'y+1/2, x, -z+1/2'
'y+1/2, -x, z+1/2'
'-y+1/2, x, z+1/2'
'-x+1/2, -z, -y+1/2'
'-z+1/2, -y, -x+1/2'
'x+1/2, z, -y+1/2'
'-z+1/2, y, x+1/2'
'x+1/2, -z, y+1/2'
'z+1/2, y, -x+1/2'
'-x+1/2, z, y+1/2'
'z+1/2, -y, x+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'
'z+1/2, x+1/2, y'
'y+1/2, z+1/2, x'
'-z+1/2, -x+1/2, y'
'-y+1/2, z+1/2, -x'
'z+1/2, -x+1/2, -y'
'-y+1/2, -z+1/2, x'
'-z+1/2, x+1/2, -y'
'y+1/2, -z+1/2, -x'
'-y+1/2, -x+1/2, -z'
'y+1/2, x+1/2, -z'
'y+1/2, -x+1/2, z'
'-y+1/2, x+1/2, z'
'-x+1/2, -z+1/2, -y'
'-z+1/2, -y+1/2, -x'
'x+1/2, z+1/2, -y'
'-z+1/2, y+1/2, x'
'x+1/2, -z+1/2, y'
'z+1/2, y+1/2, -x'
'-x+1/2, z+1/2, y'
'z+1/2, -y+1/2, x'
'-x, -y, -z'
'x, y, -z'
'-x, y, z'
'x, -y, z'
'-z, -x, -y'
'-y, -z, -x'
'z, x, -y'
'y, -z, x'
'-z, x, y'
'y, z, -x'
'z, -x, y'
'-y, z, x'
'y, x, z'
'-y, -x, z'
'-y, x, -z'
'y, -x, -z'
'x, z, y'
'z, y, x'
'-x, -z, y'
'z, -y, -x'
'-x, z, -y'
'-z, -y, x'
'x, -z, -y'
'-z, y, -x'
'-x, -y+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'-x, y+1/2, z+1/2'
'x, -y+1/2, z+1/2'
'-z, -x+1/2, -y+1/2'
'-y, -z+1/2, -x+1/2'
'z, x+1/2, -y+1/2'
'y, -z+1/2, x+1/2'
'-z, x+1/2, y+1/2'
'y, z+1/2, -x+1/2'
'z, -x+1/2, y+1/2'
'-y, z+1/2, x+1/2'
'y, x+1/2, z+1/2'
'-y, -x+1/2, z+1/2'
'-y, x+1/2, -z+1/2'
'y, -x+1/2, -z+1/2'
'x, z+1/2, y+1/2'
'z, y+1/2, x+1/2'
'-x, -z+1/2, y+1/2'
'z, -y+1/2, -x+1/2'
'-x, z+1/2, -y+1/2'
'-z, -y+1/2, x+1/2'
'x, -z+1/2, -y+1/2'
'-z, y+1/2, -x+1/2'
'-x+1/2, -y, -z+1/2'
'x+1/2, y, -z+1/2'
'-x+1/2, y, z+1/2'
'x+1/2, -y, z+1/2'
'-z+1/2, -x, -y+1/2'
'-y+1/2, -z, -x+1/2'
'z+1/2, x, -y+1/2'
'y+1/2, -z, x+1/2'
'-z+1/2, x, y+1/2'
'y+1/2, z, -x+1/2'
'z+1/2, -x, y+1/2'
'-y+1/2, z, x+1/2'
'y+1/2, x, z+1/2'
'-y+1/2, -x, z+1/2'
'-y+1/2, x, -z+1/2'
'y+1/2, -x, -z+1/2'
'x+1/2, z, y+1/2'
'z+1/2, y, x+1/2'
'-x+1/2, -z, y+1/2'
'z+1/2, -y, -x+1/2'
'-x+1/2, z, -y+1/2'
'-z+1/2, -y, x+1/2'
'x+1/2, -z, -y+1/2'
'-z+1/2, y, -x+1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'-x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z'
'-z+1/2, -x+1/2, -y'
'-y+1/2, -z+1/2, -x'
'z+1/2, x+1/2, -y'
'y+1/2, -z+1/2, x'
'-z+1/2, x+1/2, y'
'y+1/2, z+1/2, -x'
'z+1/2, -x+1/2, y'
'-y+1/2, z+1/2, x'
'y+1/2, x+1/2, z'
'-y+1/2, -x+1/2, z'
'-y+1/2, x+1/2, -z'
'y+1/2, -x+1/2, -z'
'x+1/2, z+1/2, y'
'z+1/2, y+1/2, x'
'-x+1/2, -z+1/2, y'
'z+1/2, -y+1/2, -x'
'-x+1/2, z+1/2, -y'
'-z+1/2, -y+1/2, x'
'x+1/2, -z+1/2, -y'
'-z+1/2, y+1/2, -x'

_cell_length_a                   36.240(4)
_cell_length_b                   36.240
_cell_length_c                   36.240
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     47595(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    3133
_cell_measurement_theta_min      2.51
_cell_measurement_theta_max      21.94
_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.889
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             12720
_exptl_absorpt_coefficient_mu    1.100
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7197
_exptl_absorpt_correction_T_max  0.8018
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            30331
_diffrn_reflns_av_R_equivalents  0.0776
_diffrn_reflns_av_sigmaI/netI    0.0221
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         1.59
_diffrn_reflns_theta_max         25.08
_reflns_number_total             2061
_reflns_number_gt                1566
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1810P)²+0.0872P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2061
_refine_ls_number_parameters     83
_refine_ls_number_restraints     76
_refine_ls_R_factor_all          0.1138
_refine_ls_R_factor_gt           0.0909
_refine_ls_wR_factor_ref         0.2816
_refine_ls_wR_factor_gt          0.2623
_refine_ls_goodness_of_fit_ref   1.188
_refine_ls_restrained_S_all      1.194
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.20628(3) 1.0000 0.20628(3) 0.0468(5) Uani 1 4 d S . .
Cu2 Cu 0.15505(3) 1.0000 0.15505(3) 0.0474(5) Uani 1 4 d S . .
C1 C 0.21446(17) 0.95047(16) 0.14741(17) 0.0543(15) Uani 1 1 d DU . .
C2 C 0.23505(18) 0.92005(16) 0.12678(17) 0.0663(18) Uani 1 1 d DU . .
C3 C 0.2185(2) 0.90317(16) 0.09683(16) 0.0575(18) Uani 1 2 d SDU . .
H3 H 0.1956 0.9122 0.0878 0.069 Uiso 1 2 calc SR . .
C4 C 0.2692(2) 0.90938(19) 0.1374(2) 0.088(2) Uani 1 1 d DU . .
H4 H 0.2803 0.9212 0.1580 0.106 Uiso 1 1 calc R . .
C5 C 0.2894(3) 0.88113(15) 0.11887(15) 0.097(2) Uani 1 2 d SDU . .
C6 C 0.3255(4) 0.86990(18) 0.13010(18) 0.101(2) Uani 1 2 d SDU . .
C7 C 0.3416(2) 0.8856(3) 0.1584(2) 0.111(2) Uani 0.67 2 d SPDU A 1
H7 H 0.3326 0.9086 0.1674 0.133 Uiso 0.67 2 calc SPR A 1
N1 N 0.3416(2) 0.8856(3) 0.1584(2) 0.111(2) Uani 0.33 2 d SPU A 2
O1 O 0.22986(13) 0.96180(12) 0.17591(12) 0.0632(12) Uani 1 1 d . . .
O2 O 0.18576(12) 0.96223(12) 0.13268(13) 0.0650(12) Uani 1 1 d . . .
O3 O 0.2500 1.0000 0.2500 0.083(4) Uani 1 8 d S . .
H3A H 0.2410 0.9850 0.2660 0.100 Uiso 0.13 1 d PR . .
H3B H 0.2410 1.0140 0.2660 0.100 Uiso 0.13 1 d PR . .
O4 O 0.11227(19) 1.0000 0.11227(19) 0.104 Uani 1 4 d S . .
H4A H 0.0928 0.9835 0.1188 0.125 Uiso 0.25 1 d PR . .
H4B H 0.1228 0.9921 0.0888 0.125 Uiso 0.25 1 d PR . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 O1 1.964(4) 114 ?
Cu1 O1 1.964(4) 24_575 ?
Cu1 O1 1.964(4) . ?
Cu1 O1 1.964(4) 100_575 ?
Cu1 O3 2.2408(13) . ?
Cu1 Cu2 2.6254(18) . ?
Cu2 O2 1.941(4) 24_575 ?
Cu2 O2 1.941(4) 114 ?
Cu2 O2 1.941(4) . ?
Cu2 O2 1.941(4) 100_575 ?
Cu2 O4 2.193(10) . ?
C1 O1 1.244(7) . ?
C1 O2 1.244(7) . ?
C1 C2 1.527(9) . ?
C2 C4 1.353(11) . ?
C2 C3 1.383(8) . ?
C3 C2 1.383(8) 119_566 ?
C3 H3 0.9500 . ?
C4 C5 1.425(11) . ?
C4 H4 0.9500 . ?
C5 C4 1.425(11) 119_566 ?
C5 C6 1.430(18) . ?
C6 C7 1.311(9) . ?
C6 N1 1.311(9) 83_556 ?
C6 C7 1.311(9) 83_556 ?
C7 C6 1.311(9) 60_465 ?
C7 H7 0.9500 . ?
O3 Cu1 2.2408(13) 145_575 ?
O3 H3A 0.8591 . ?
O3 H3B 0.8367 . ?
O4 H4A 0.9554 . ?
O4 H4B 0.9756 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Cu1 O1 89.6(3) 114 24_575 ?
O1 Cu1 O1 89.5(3) 114 . ?
O1 Cu1 O1 169.8(2) 24_575 . ?
O1 Cu1 O1 169.8(2) 114 100_575 ?
O1 Cu1 O1 89.5(3) 24_575 100_575 ?
O1 Cu1 O1 89.6(3) . 100_575 ?
O1 Cu1 O3 95.08(12) 114 . ?
O1 Cu1 O3 95.08(12) 24_575 . ?
O1 Cu1 O3 95.08(12) . . ?
O1 Cu1 O3 95.08(12) 100_575 . ?
O1 Cu1 Cu2 84.92(12) 114 . ?
O1 Cu1 Cu2 84.92(12) 24_575 . ?
O1 Cu1 Cu2 84.92(12) . . ?
O1 Cu1 Cu2 84.92(12) 100_575 . ?
O3 Cu1 Cu2 180.00(6) . . ?
O2 Cu2 O2 89.7(3) 24_575 114 ?
O2 Cu2 O2 167.4(3) 24_575 . ?
O2 Cu2 O2 88.9(3) 114 . ?
O2 Cu2 O2 88.9(3) 24_575 100_575 ?
O2 Cu2 O2 167.4(3) 114 100_575 ?
O2 Cu2 O2 89.7(3) . 100_575 ?
O2 Cu2 O4 96.31(14) 24_575 . ?
O2 Cu2 O4 96.31(14) 114 . ?
O2 Cu2 O4 96.31(14) . . ?
O2 Cu2 O4 96.31(14) 100_575 . ?
O2 Cu2 Cu1 83.69(14) 24_575 . ?
O2 Cu2 Cu1 83.69(14) 114 . ?
O2 Cu2 Cu1 83.69(14) . . ?
O2 Cu2 Cu1 83.69(14) 100_575 . ?
O4 Cu2 Cu1 180.00(7) . . ?
O1 C1 O2 128.2(6) . . ?
O1 C1 C2 115.2(5) . . ?
O2 C1 C2 116.5(5) . . ?
C4 C2 C3 119.5(7) . . ?
C4 C2 C1 121.0(7) . . ?
C3 C2 C1 119.5(6) . . ?
C2 C3 C2 120.5(9) . 119_566 ?
C2 C3 H3 119.8 . . ?
C2 C3 H3 119.8 119_566 . ?
C2 C4 C5 122.7(9) . . ?
C2 C4 H4 118.6 . . ?
C5 C4 H4 118.6 . . ?
C4 C5 C4 114.4(11) 119_566 . ?
C4 C5 C6 122.6(6) 119_566 . ?
C4 C5 C6 122.6(6) . . ?
C7 C6 N1 118.9(17) . 83_556 ?
C7 C6 C7 118.9(17) . 83_556 ?
N1 C6 C7 0.0(12) 83_556 83_556 ?
C7 C6 C5 120.4(8) . . ?
N1 C6 C5 120.4(8) 83_556 . ?
C7 C6 C5 120.4(8) 83_556 . ?
C6 C7 C6 120.5(16) . 60_465 ?
C6 C7 H7 119.7 . . ?
C6 C7 H7 119.7 60_465 . ?
C1 O1 Cu1 120.2(4) . . ?
C1 O2 Cu2 122.8(4) . . ?
Cu1 O3 Cu1 180.0 145_575 . ?
Cu1 O3 H3A 77.9 145_575 . ?
Cu1 O3 H3A 102.1 . . ?
Cu1 O3 H3B 77.6 145_575 . ?
Cu1 O3 H3B 102.4 . . ?
H3A O3 H3B 76.6 . . ?
Cu2 O4 H4A 110.4 . . ?
Cu2 O4 H4B 109.9 . . ?
H4A O4 H4B 108.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Cu1 Cu2 O2 90.2(2) 114 . . 24_575 ?
O1 Cu1 Cu2 O2 0.1(2) 24_575 . . 24_575 ?
O1 Cu1 Cu2 O2 -179.9(2) . . . 24_575 ?
O1 Cu1 Cu2 O2 -89.8(2) 100_575 . . 24_575 ?
O3 Cu1 Cu2 O2 45(94) . . . 24_575 ?
O1 Cu1 Cu2 O2 -0.1(2) 114 . . 114 ?
O1 Cu1 Cu2 O2 -90.2(2) 24_575 . . 114 ?
O1 Cu1 Cu2 O2 89.8(2) . . . 114 ?
O1 Cu1 Cu2 O2 179.9(2) 100_575 . . 114 ?
O3 Cu1 Cu2 O2 -45(94) . . . 114 ?
O1 Cu1 Cu2 O2 -89.8(2) 114 . . . ?
O1 Cu1 Cu2 O2 -179.9(2) 24_575 . . . ?
O1 Cu1 Cu2 O2 0.1(2) . . . . ?
O1 Cu1 Cu2 O2 90.2(2) 100_575 . . . ?
O3 Cu1 Cu2 O2 -135(94) . . . . ?
O1 Cu1 Cu2 O2 179.9(2) 114 . . 100_575 ?
O1 Cu1 Cu2 O2 89.8(2) 24_575 . . 100_575 ?
O1 Cu1 Cu2 O2 -90.2(2) . . . 100_575 ?
O1 Cu1 Cu2 O2 -0.1(2) 100_575 . . 100_575 ?
O3 Cu1 Cu2 O2 135(100) . . . 100_575 ?
O1 Cu1 Cu2 O4 45.04(15) 114 . . . ?
O1 Cu1 Cu2 O4 -45.04(15) 24_575 . . . ?
O1 Cu1 Cu2 O4 134.96(15) . . . . ?
O1 Cu1 Cu2 O4 -134.96(15) 100_575 . . . ?
O3 Cu1 Cu2 O4 0.0 . . . . ?
O1 C1 C2 C4 -6.3(6) . . . . ?
O2 C1 C2 C4 169.8(4) . . . . ?
O1 C1 C2 C3 173.8(6) . . . . ?
O2 C1 C2 C3 -10.2(5) . . . . ?
C4 C2 C3 C2 6.3(5) . . . 119_566 ?
C1 C2 C3 C2 -173.8(5) . . . 119_566 ?
C2 C4 C5 C4 -5.7(5) . . . 119_566 ?
C2 C4 C5 C6 180.00(9) . . . . ?
C4 C5 C6 C7 -173.8(5) 119_566 . . . ?
C4 C5 C6 C7 0.01(19) . . . . ?
C4 C5 C6 N1 -0.01(19) 119_566 . . 83_556 ?
C4 C5 C6 N1 173.8(5) . . . 83_556 ?
C4 C5 C6 C7 -0.01(19) 119_566 . . 83_556 ?
C4 C5 C6 C7 173.8(5) . . . 83_556 ?
N1 C6 C7 C6 -10.9(11) 83_556 . . 60_465 ?
C7 C6 C7 C6 -10.9(11) 83_556 . . 60_465 ?
C5 C6 C7 C6 162.9(6) . . . 60_465 ?
O2 C1 O1 Cu1 6.1(9) . . . . ?
C2 C1 O1 Cu1 -178.4(3) . . . . ?
O1 Cu1 O1 C1 82.1(5) 114 . . . ?
O1 Cu1 O1 C1 -2.8(5) 24_575 . . . ?
O1 Cu1 O1 C1 -87.7(5) 100_575 . . . ?
O3 Cu1 O1 C1 177.2(5) . . . . ?
Cu2 Cu1 O1 C1 -2.8(5) . . . . ?
O1 C1 O2 Cu2 -6.1(10) . . . . ?
C2 C1 O2 Cu2 178.5(3) . . . . ?
O2 Cu2 O2 C1 2.5(5) 24_575 . . . ?
O2 Cu2 O2 C1 -81.2(5) 114 . . . ?
O2 Cu2 O2 C1 86.2(5) 100_575 . . . ?
O4 Cu2 O2 C1 -177.5(5) . . . . ?
Cu1 Cu2 O2 C1 2.5(5) . . . . ?
O1 Cu1 O3 Cu1 -163(61) 114 . . 145_575 ?
O1 Cu1 O3 Cu1 -73(61) 24_575 . . 145_575 ?
O1 Cu1 O3 Cu1 107(61) . . . 145_575 ?
O1 Cu1 O3 Cu1 17(61) 100_575 . . 145_575 ?
Cu2 Cu1 O3 Cu1 0.0 . . . 145_575 ?

# SQUEEZE RESULTS (APPEND TO CIF)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 -0.013 -0.019 -0.015 31053.1 5739.4
_platon_squeeze_details          
;
;



_diffrn_measured_fraction_theta_max 0.965
_diffrn_reflns_theta_full        25.08
_diffrn_measured_fraction_theta_full 0.965
_refine_diff_density_max         1.017
_refine_diff_density_min         -0.618
_refine_diff_density_rms         0.111
